%chk=000298583.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298583

0 1
S -3.151043 0.383842 0.889222
O -0.024940 0.520713 -1.647848
N -2.362866 2.333349 -0.673366
C 0.296997 0.316349 -0.257691
C -0.500918 1.329195 0.610418
C -0.108833 -1.120020 0.042804
C 1.804784 0.508475 -0.102313
C -1.908929 1.476903 0.168635
C 0.297946 -1.732465 1.236933
C 2.624784 0.232031 -1.206678
C -0.897614 -1.831734 -0.871071
C 2.385993 0.922794 1.102864
C -4.492452 1.180576 -0.065650
C -3.816662 2.269010 -0.920419
C -0.087397 -3.046659 1.513818
C 4.010058 0.380416 -1.110016
C -1.278196 -3.147289 -0.591094
C 3.773790 1.069723 1.197241
C -0.875811 -3.755769 0.601400
C 4.587320 0.801118 0.092653
H 0.002751 2.325159 0.572760
H -0.456808 1.020013 1.678419
H 0.921464 -1.194156 1.948337
H 2.165774 -0.101017 -2.141791
H -1.210127 -1.350115 -1.801565
H 1.771437 1.131325 1.976267
H -0.093568 1.478409 -1.858560
H -5.237676 1.599006 0.631425
H -4.999021 0.419829 -0.683389
H -3.971174 2.081819 -2.008103
H -4.244851 3.275082 -0.707628
H 0.228850 -3.519360 2.441540
H 4.640147 0.165070 -1.971488
H -1.891220 -3.695894 -1.303546
H 4.220505 1.393500 2.135660
H -1.174685 -4.778885 0.819908
H 5.666890 0.916557 0.168711


%chk=000298583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298583

0 1
S -2.920215 2.033867 1.714354
O -0.002545 0.624374 -1.831670
N -2.463689 1.235508 -0.831524
C 0.318032 0.343420 -0.424831
C -0.355161 1.450763 0.460817
C -0.145430 -1.086149 -0.062407
C 1.846484 0.486259 -0.270217
C -1.852826 1.518249 0.282621
C -0.734659 -1.430977 1.178780
C 2.601161 1.161794 -1.259268
C 0.063916 -2.109553 -1.022878
C 2.503476 -0.006335 0.885202
C -4.397727 2.081948 0.515353
C -3.944087 1.283262 -0.748756
C -1.106227 -2.768133 1.455274
C 3.993322 1.342845 -1.093097
C -0.301306 -3.443580 -0.748175
C 3.893111 0.180715 1.053601
C -0.889062 -3.780323 0.495026
C 4.644098 0.858199 0.064655
H 0.078932 2.420240 0.149139
H -0.099675 1.322388 1.526884
H -0.919651 -0.667607 1.942847
H 2.083259 1.520262 -2.152919
H 0.506187 -1.836557 -1.986336
H 1.935300 -0.559065 1.642704
H -1.007907 0.737979 -1.860843
H -4.604906 3.139600 0.291134
H -5.264953 1.623416 1.012374
H -4.307589 0.237970 -0.706287
H -4.349193 1.743367 -1.666376
H -1.564831 -3.015068 2.419802
H 4.569620 1.861004 -1.868431
H -0.129766 -4.221260 -1.501325
H 4.390356 -0.208904 1.949281
H -1.174642 -4.816370 0.709875
H 5.723488 0.999349 0.192417


